Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester

InChI

InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(31)26(23(2)3)29-27(30)25-20-18-24(4)19-21-25/h18-21,23,26H,5-17,22H2,1-4H3,(H,29,30)

InChI Key

KLUPCNQWDQTWPK-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C

Molecular Weight¹

445.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	9.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.66	kJ/mol	Joback Calculated Property
ΔfusH°	64.37	kJ/mol	Joback Calculated Property
ΔvapH°	102.42	kJ/mol	Joback Calculated Property
log10WS	-8.98		Crippen Calculated Property
logPoct/wat	7.384		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	839.19	kPa	Joback Calculated Property
Inp	[3341.00; 3341.00]
Inp	3341.00		NIST
Inp	3341.00		NIST
Tboil	1051.15	K	Joback Calculated Property
Tc	1291.69	K	Joback Calculated Property
Tfus	589.01	K	Joback Calculated Property
Vc	1.548	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1402.49; 1487.90]	J/mol×K	[1051.15; 1291.69]
Cp,gas	1402.49	J/mol×K	1051.15	Joback Calculated Property
Cp,gas	1420.58	J/mol×K	1091.24	Joback Calculated Property
Cp,gas	1437.00	J/mol×K	1131.33	Joback Calculated Property
Cp,gas	1451.84	J/mol×K	1171.42	Joback Calculated Property
Cp,gas	1465.20	J/mol×K	1211.51	Joback Calculated Property
Cp,gas	1477.19	J/mol×K	1251.60	Joback Calculated Property
Cp,gas	1487.90	J/mol×K	1291.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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